426-54-0

Basic information

• Product Name: 2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL
• Synonyms: 2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL;1,1,1-TRIFLUORO-2-PHENYL-PROPAN-2-OL;(R,S)-1,1,1-Trifluoro-2-phenyl-propan-2-ol;1-Methyl-1-phenyl-2,2,2-trifluoroethanol;2-Phenyl-1,1,1-trifluoropropan-2-ol,97%;2-Phenyl-1,1,1-trifluoropropan-2-ol 97%
• CAS NO: 426-54-0
• Molecular Formula: C₉H₉F₃O
• Molecular Weight: 190.16
• Product Categories: Aromatic Building Blocks
• Mol File: 426-54-0.mol

Chemical Properties

• Boiling Point: 81-83/3mm
• Flash Point: 99.9 °C
• Appearance: /
• Density: 1.251
• Refractive Index: 1.4656
• PKA: 11.98±0.10(Predicted)
• CAS DataBase Reference: 2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL(426-54-0)
• EPA Substance Registry System: 2-PHENYL-1,1,1-TRIFLUOROPROPAN-2-OL(426-54-0)

Safety Data

• Hazard Codes: F
• Hazardous Substances Data: 426-54-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Phenyl-1,1,1-trifluoropropan-2-ol is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical properties, including the presence of a phenyl and trifluoromethyl group, make it a valuable component in the synthesis of complex organic molecules with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Phenyl-1,1,1-trifluoropropan-2-ol serves as a key intermediate in the synthesis of agrochemicals. Its ability to be incorporated into the molecular structures of these products contributes to the development of effective pesticides and other agricultural chemicals.
Used in Organic Synthesis:
2-Phenyl-1,1,1-trifluoropropan-2-ol is utilized as a chiral building block in organic synthesis. Its stereochemistry and functional groups make it a versatile component for constructing enantioselective reactions and creating new compounds with specific biological activities or chemical properties.
Used in Research and Development:
2-Phenyl-1,1,1-trifluoropropan-2-ol is also employed in research and development settings, where its unique characteristics are explored for potential applications in new chemical entities and innovative synthetic pathways. Its role in advancing scientific understanding and the creation of novel compounds is significant in the field of chemistry.

Upstream product

• 421-50-1 1,1,1-trifluoro-2-propanone 
• 71-43-2 benzene 
• 384-64-5 3,3,3-trifluoro-2-phenylpropene 
• 96-09-3 styrene oxide 
• 75-46-7 trifluoromethan 
• 98-86-2 acetophenone 
• 434-45-7 2,2,2-Trifluoroacetophenone 
• 544-97-8 dimethyl zinc(II) 
• 75-16-1 methylmagnesium bromide 
• 2923-18-4 sodium 2,2,2-trifluoroacetate 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 2314-97-8 iodotrifluoromethane 
• 75-63-8 Bromotrifluoromethane 
• 228123-22-6 trimethyl-(2,2,2-trifluoro-1-methyl-1-phenyl-ethoxy)-silane 

Downstream Products

• 112754-64-0 1-phenyl-1-(trifluoromethyl)ethyl chloride 
• 384-64-5 3,3,3-trifluoro-2-phenylpropene 
• 122243-09-8 3-Nitro-benzenesulfonic acid 2,2,2-trifluoro-1-methyl-1-phenyl-ethyl ester 
• 73572-26-6 1-phenyl-1-methyl-2,2,2-trifluoroethyl tosylate 

Relevant articles and documents

Trifluoromethyl reagent as well as synthesis method and application thereof

The invention discloses a trifluoromethyl reagent as well as a synthesis method and application thereof, wherein the structural formula of the trifluoromethyl reagent is as shown in formula I in the specification. According to the invention, diphenyl trifluoromethylphosphine and iodomethane are used as raw materials, and are heated in an organic solvent to carry out an addition reaction to prepare the trifluoromethylation reagent. The method is simple and convenient in process, high in yield and capable of realizing 10-gram-level large-scale preparation; more importantly, the trifluoromethylation reagent can be used as a free radical and a nucleophilic reagent to be applied to free radical addition reaction and simple nucleophilic addition reaction to prepare different types of trifluoromethylation products, so that the method has important application value.

PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL

A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals,

Synthesis of ethyl 5-aryl-5-(trifluoromethyl)-4,5-dihydroisoxazole-3-carboxylates, exhibiting plant growth-regulating properties

A convenient method for the synthesis of high-boiling-point α-(trifluoromethyl)styrenes was proposed. The regioselective synthesis of a series of ethyl 5-aryl-5-(trifluoromethyl)-4,5- dihydroisoxazole-3-carboxylates was conducted by the reaction of ethyl

PERFLUORORALKYLATION OF CARBONYL COMPOUNDS

The present invention provides a process for producing a compound comprising a perfluorinated alkyl group moiety from a carbonyl compound. Typically, the process includes contacting a carbonyl compound with a silane compound in the presence of a fluorohydrogenate ionic liquid under conditions sufficient to produce a compound comprising a perfluorinated alkyl group. The silane compound includes a perfluoroalkyl group.

Organocatalysis approach to trifluoromethylation with fluoroform

The organic base methodology exploits an access to generate the "trifluoromethyl anion" for carbonyl, ester, acid halide, epoxide, deuterium donor, and carbon dioxide substrates to afford the trifluoromethylation products with good overall efficiency even in organocatalysis conditions. The NMR analysis of the mixture of fluoroform and P4-base shows no change thereof. However, on addition of electrophiles, the trifluoromethylation products were obtained efficiently.

Trifluoromethylation of ketones and aldehydes with Bu3SnCF 3

The (trifluoromethyl)stannane reagent, Bu3SnCF3, was found to react under CsF activation with ketones and aldehydes to the corresponding trifluoromethylated stannane ether intermediates at room temperature in high yield. Only a mildly acidic extraction (aqueous NH 4Cl) is required to release the corresponding trifluoromethyl alcohol products. The protocol is compatible with acid-sensitive functional groups.

Nucleophilic trifluoromethylation with organoboron reagents

Potassium trialkoxy(trifluoromethyl)borates are shown to behave as convenient reagents for nucleophilic trifluoromethylation of non-enolizable aldehydes and N-tosylimines to give CF3-substituted alcohols and N-tosylamines in good yields.

Highly enantioselective addition of dialkylzinc to trifluoroacetophenones, catalyzed by 1,2-diamines. synthesis of key fragments of inhibitors of the enzyme 11β-HSD1 and kinetic analysis of the process

Chiral diamines derived from (R,R)- or (S,S)-1,2-diphenylethylenediamine and (S)- or (R)-2,2′-bis(bromomethyl)-1,1′-binaphthalene perform very well as catalysts in the enantioselective addition of ZnEt2 and ZnMe2 to trifluoroacetophenones, avoiding reduction products, in contrast to the poor results with amino alcohols. Excellent yields (up to 99%) and high enantioselectivity (up to 92%) are achieved with the best ligands. A kinetic study at low temperature (-37 °C) shows that the reduction reaction rate on ligandless ZnEt2 is negligible (2 orders of magnitude slower) compared to the rate of addition reaction on [ZnR2(N-N)]. Using this new procedure, reported fragments of inhibitors of enzyme 11β-HSD1 that are active against obesity and type 2 diabetes mellitus, as well as new unreported modified fragments of these bioactive molecules, were produced efficiently and enantioselectively.

Abstraction of iodine from aromatic iodides by alkyl radicals: Steric and electronic effects

Abstraction of the iodine atom from aryl iodides by alkyl radicals takes place in some cases very efficiently despite the unfavorable difference in bond dissociation energies of C-I bonds in alkyl and aryl iodides. The abstraction is most efficient in iod

Lewis base-catalyzed perfluoroalkylation of carbonyl compounds and imines with (perfluoroalkyl)trimethylsilane

Lewis base-catalyzed perfluoroalkylation of carbonyl compounds and aldimines with (perfluoroalkyl)trimethylsilanes (TMSCF3, TMSC 2F5, and TMSC3F7) is described. The nitrogen- or oxygen-containing anions generated from amides, imides, and carboxylic acids have been found to work as effective Lewis-base catalysts in perfluoroalkylation that proceeds via activation of the carbon-silicon bonds of (perfluoroalkyl)trimethylsilanes. Reactions of carbonyl compounds such as aldehydes, ketones, and esters with TMSCF3 in the presence of a catalytic amount of Lewis bases proceeded smoothly to afford the corresponding adducts in good-to-high yields under mild conditions. Although it was considered difficult, this catalytic perfluoroalkylation of various aldimines with (perfluoroalkyl)trimethylsilane in the presence of Lewis bases such as lithium acetate or benzoate proceeded efficiently to give the corresponding perfluoroalkylated adducts, because the aldimines here were weak electrophiles toward (perfluoroalkyl)trimethylsilanes. The present reaction is, therefore, the first example of a catalytic perfluoroalkylation of aldimines.